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(5S)-1-[(E)-1-oxobut-2-enyl]-5-[(triphenylmethyl)oxymethyl]-2-pyrrolidinone

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(5S)-1-[(E)-1-oxobut-2-enyl]-5-[(triphenylmethyl)oxymethyl]-2-pyrrolidinone
SpectraBase Compound ID DeW9HO6YchV
InChI InChI=1S/C28H27NO3/c1-2-12-26(30)29-25(19-20-27(29)31)21-32-28(22-13-6-3-7-14-22,23-15-8-4-9-16-23)24-17-10-5-11-18-24/h2-18,25H,19-21H2,1H3/b12-2+/t25-/m0/s1
InChIKey TYXQYVQJRVQZHC-MMXQCWNLSA-N
Mol Weight 425.53 g/mol
Molecular Formula C28H27NO3
Exact Mass 425.199094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FVrSLNFHnkP
Name (5S)-1-[(E)-1-Oxobut-2-enyl]-5-[(triphenylmethyl)oxymethyl]-2-pyrrolidinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.199093730 u
Formula C28H27NO3
InChI InChI=1S/C28H27NO3/c1-2-12-26(30)29-25(19-20-27(29)31)21-32-28(22-13-6-3-7-14-22,23-15-8-4-9-16-23)24-17-10-5-11-18-24/h2-18,25H,19-21H2,1H3/b12-2+/t25-/m0/s1
InChIKey TYXQYVQJRVQZHC-MMXQCWNLSA-N
Molecular Weight 425.528 g/mol
SMILES C1(N([C@@](CC1)(COC(C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1)[H])C(\C=C\C)=O)=O